6VCF
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979354 |
Spacegroup name | P 61 |
Unit cell lengths | 107.267, 107.267, 491.109 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.149 - 2.687 |
Rwork | 0.252 |
R-free | 0.27140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kvc |
RMSD bond length | 0.002 |
RMSD bond angle | 1.198 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.185 | 1.954 |
Number of reflections | 88233 | 13897 |
<I/σ(I)> | 11.77 | 0.97 |
Completeness [%] | 99.5 | 97.5 |
Redundancy | 10.5 | 10.1 |
CC(1/2) | 0.999 | 0.373 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 22% Sokalan PA 25 CL 0.1 M MES-NaOH pH 6 0.1 M NaCl 22% Xylitol |